2-[3-(4-chlorophenoxy)propanoylamino]acetic acid

C11H12ClNO4 — CID 82042352

IUPAC2-[3-(4-chlorophenoxy)propanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCOc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO4/c12-8-1-3-9(4-2-8)17-6-5-10(14)13-7-11(15)16/h1-4H,5-7H2,(H,13,14)(H,15,16)
InChIKeyGNWYWNSEAHHKIU-UHFFFAOYSA-N
MW257.67 g/mol
LogP1.31
Rot. Bonds6

About 2-[3-(4-chlorophenoxy)propanoylamino]acetic acid

2-[3-(4-chlorophenoxy)propanoylamino]acetic acid (PubChem CID 82042352) has the molecular formula C11H12ClNO4 and a molecular weight of 257.67 g/mol. Its IUPAC name is 2-[3-(4-chlorophenoxy)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(4-chlorophenoxy)propanoylamino]acetic acid
PubChem CID82042352
Molecular FormulaC11H12ClNO4
Molecular Weight257.67 g/mol
Exact Mass257.05
IUPAC Name2-[3-(4-chlorophenoxy)propanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCOc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO4/c12-8-1-3-9(4-2-8)17-6-5-10(14)13-7-11(15)16/h1-4H,5-7H2,(H,13,14)(H,15,16)
InChIKeyGNWYWNSEAHHKIU-UHFFFAOYSA-N
XLogP1.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid
CID 43387562
N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide
CID 112997910
2-[3-[4-(2-methylbutan-2-yl)phenoxy]propanoylamino]acetic acid
CID 92923176
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
CID 82109522
3-[3-(4-chlorophenoxy)propyl-methylamino]propanoic acid
CID 19816774
N-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenoxy)propanamide
CID 60621030
3-(4-chlorophenoxy)-N-cyclopentylpropanamide
CID 108790008
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide
CID 110285273
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119271547
2-[4-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]phenoxy]acetic acid
CID 119255572

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenoxy)propanoylamino]acetic acid?
The IUPAC name of 2-[3-(4-chlorophenoxy)propanoylamino]acetic acid (CID 82042352) is 2-[3-(4-chlorophenoxy)propanoylamino]acetic acid.
What is the SMILES notation for 2-[3-(4-chlorophenoxy)propanoylamino]acetic acid?
The canonical SMILES for 2-[3-(4-chlorophenoxy)propanoylamino]acetic acid is O=C(O)CNC(=O)CCOc1ccc(Cl)cc1.
What is the InChIKey of 2-[3-(4-chlorophenoxy)propanoylamino]acetic acid?
The InChIKey is GNWYWNSEAHHKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4/c12-8-1-3-9(4-2-8)17-6-5-10(14)13-7-11(15)16/h1-4H,5-7H2,(H,13,14)(H,15,16).
What are the key properties of 2-[3-(4-chlorophenoxy)propanoylamino]acetic acid?
2-[3-(4-chlorophenoxy)propanoylamino]acetic acid has a molecular weight of 257.67 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenoxy)propanoylamino]acetic acid is sourced from PubChem (CID 82042352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).